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Information card for entry 7110855
Preview
| Coordinates | 7110855.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C9 H18 Fe N3 O6 |
|---|---|
| Calculated formula | C9 H18 Fe N3 O6 |
| SMILES | [Fe]123(ON(=[O]1)=C(C)C)(ON(=[O]3)=C(C)C)ON(=[O]2)=C(C)C |
| Title of publication | Preparation and characterization of homoleptic and ethoxy-bridged nitronato iron(iii) complexes |
| Authors of publication | Kovács, Tibor; Speier, Gábor; Réglier, Marius; Giorgi, Michel; Vértes, Attila; Vankó, György |
| Journal of publication | Chemical Communications |
| Year of publication | 2000 |
| Journal issue | 6 |
| Pages of publication | 469 |
| a | 12.395 ± 0.001 Å |
| b | 9.226 ± 0.001 Å |
| c | 13.343 ± 0.001 Å |
| α | 90 ± 0.001° |
| β | 109.082 ± 0.001° |
| γ | 90 ± 0.001° |
| Cell volume | 1442 ± 0.2 Å3 |
| Cell temperature | 298 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for significantly intense reflections | 0.032 |
| Weighted residual factors for significantly intense reflections | 0.033 |
| Goodness-of-fit parameter for significantly intense reflections | 0.85 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | xray |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176453 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7. |
7110855.cif |
| 95967 | 2014-01-28 | cif/ Adding structures of 7110855, 7110856 via cif-deposit CGI script. |
7110855.cif |
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Users of the data should acknowledge the original authors of the
structural data.